#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511222.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1511222
loop_
_publ_author_name
'Chang, K.-S.'
_publ_section_title
;
 Li Zn B O3 : crystal structure
;
_journal_name_full               'Journal of the Korean Chemical Society'
_journal_page_first              251
_journal_page_last               255
_journal_volume                  45
_journal_year                    2001
_chemical_formula_sum            'B Li1.13 O3 Zn0.93'
_chemical_name_systematic        'Li1.13 Zn0.93 (B O3)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                65.81
_cell_angle_beta                 65.56
_cell_angle_gamma                59.77
_cell_formula_units_Z            2
_cell_length_a                   5.0915
_cell_length_b                   5.059
_cell_length_c                   6.156
_cell_volume                     120.566
_citation_journal_id_ASTM        JKCSEZ
_cod_data_source_file            boron0-1_335.cif
_cod_data_source_block           B1Li1.13O3Zn0.93
_cod_original_cell_volume        120.5663
_cod_original_formula_sum        'B1 Li1.13 O3 Zn0.93'
_cod_database_code               1511222
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0.4039 -0.002 0.8044 1 0.0
O3 O-2 0.1539 0.7501 0.7468 1 0.0
Zn1 Zn+2 0.7466 0.0678 0.803 0.46 0.0
B1 B+3 0.577 0.25 0.254 1 0.0
Zn2 Zn+2 0.1179 0.433 0.6952 0.475 0.0
Li2 Li+1 0.761 0.102 0.684 0.58 0.0
O1 O-2 0.7075 0.5022 0.6941 1 0.0
Li1 Li+1 0.048 0.401 0.81 0.55 0.0
